SCHEMBL22292253

SCHEMBL22292253

C=C(C)C(=O)CCCOC(=O)c1ccc(-c2ccc(C(=O)OCCOC(=O)C(=C)C)c(C)c2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RARB P10826 4/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ RXRB P28702 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CFD P00746 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13132121 0.85 TDP1 (0.44) TDP1POLBAPEX1HTTMCL1
SCHEMBL20110987 0.83 TDP1 (0.42) TDP1POLBAPEX1HTTMCL1
SCHEMBL24245300 0.82 POLB (0.45) TDP1POLBAPEX1HTTTSHR
SCHEMBL16351917 0.80 TDP1 (0.41) TDP1POLBAPEX1HTTRARB
SCHEMBL19826125 0.78 TDP1 (0.38) TDP1POLBAPEX1HTTRARB
SCHEMBL17678822 0.78 CFD (0.36) TDP1POLBAPEX1HTTPDE4A
SCHEMBL16351873 0.77 TDP1 (0.38) TDP1POLBAPEX1HTTPDE4A
SCHEMBL15713257 0.77 THRB (0.47) TDP1TSHRCA1CA2L3MBTL1
SCHEMBL17209081 0.77 THRB (0.47) TDP1TSHRCA1CA2L3MBTL1
SCHEMBL544688 0.77 TDP1 (0.56) TDP1POLBAPEX1HTTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729820-B2 Methods and processes for application of drug delivery polymeric coatings ARISTE MEDICAL, LLC (US) 2020-08-04 — — US disclosed
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